(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C22H27N3O3 — CID 30482285

IUPAC(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C22H27N3O3/c1-16(22(28)23-12-6-14-25-13-5-11-21(25)27)24-20(26)15-18-9-4-8-17-7-2-3-10-19(17)18/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,23,28)(H,24,26)/t16-/m0/s1
InChIKeyVRDTXCDDWNGCMD-INIZCTEOSA-N
MW381.48 g/mol
LogP2.02
Rot. Bonds8

About (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 30482285) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID30482285
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C22H27N3O3/c1-16(22(28)23-12-6-14-25-13-5-11-21(25)27)24-20(26)15-18-9-4-8-17-7-2-3-10-19(17)18/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,23,28)(H,24,26)/t16-/m0/s1
InChIKeyVRDTXCDDWNGCMD-INIZCTEOSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 43005218
3-[(2-naphthalen-1-ylacetyl)amino]-3-[3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]phenyl]propanamide
CID 24789201
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
N-(2-naphthalen-1-ylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865136
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 30483403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 30482285) is (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is VRDTXCDDWNGCMD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(22(28)23-12-6-14-25-13-5-11-21(25)27)24-20(26)15-18-9-4-8-17-7-2-3-10-19(17)18/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,23,28)(H,24,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 30482285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).